SCHEMBL5200760

SCHEMBL5200760

CS(=O)(=O)Nc1cc(OCC2=NCCN2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 4/20 0.51
ADRA1A P35348 13/20 0.51
ADRA1D P25100 10/20 0.47
ADRA1B P35368 10/20 0.47
ADRA2A P08913 7/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ADRA2C P18825 7/20 0.44
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5201887 0.99 ADRA1A (0.50) NISCHADRA1AADRA1DADRA1BADRA2A
SCHEMBL5206394 0.87 ADRA1A (0.54) NISCHADRA1AADRA1DADRA1BADRA2A
SCHEMBL5201006 0.86 ADRA1A (0.62) NISCHADRA1AADRA1DADRA1BADRA2A
Hydrochloric Acid SCHEMBL5201136 0.86 ADRA1A (0.53) NISCHADRA1AADRA1DADRA1BADRA2A
SCHEMBL5201523 0.86 NISCH (0.51) NISCHADRA1AADRA1DADRA1BADRA2A
Hydrochloric Acid SCHEMBL5204266 0.85 ADRA1A (0.61) NISCHADRA1AADRA1DADRA1BADRA2A
Hydrochloric Acid SCHEMBL5206302 0.85 ADRA1A (0.50) NISCHADRA1AADRA1DADRA1BADRA2A
SCHEMBL5203725 0.83 ADRA1A (0.49) NISCHADRA1AADRA1DADRA1BADRA2A
SCHEMBL14340664 0.83 ADRA1A (0.53) NISCHADRA1AADRA1DADRA1BADRA2A
SCHEMBL5203763 0.81 ADRA1A (0.53) NISCHADRA1AADRA1DADRA1BADRA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP claimed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP claimed
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed